Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1251358
  • Created at: Sept. 4, 2022, 3:40 p.m.
  • Last updated at: Sept. 4, 2022, 3:40 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ac', 'Al', 'Si']
  • Chemical System: Ac-Al-Si
  • Density: 5.429727668484273
  • Atomic Density: 0.04849492610024835
  • Unit Cell Volume: 103.10356983870925
  • Molar Volume: 12.418084208543952
  • Full Formula: Ac1 Al2 Si2
  • Reduced Formula: Ac(AlSi)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm